Results 211 to 220 of about 3,363,829 (323)

Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve, Jörg Lindner, Stefan Flesch, Luis I. Domenianni, Peter Vöhringer   +4 more
wiley   +1 more source

Natural hyperbolicity of hexagonal boron nitride in the deep ultraviolet. [PDF]

Nat Commun
Choi B, Lynch J, Chen W, Jeon SJ, Cho H, Yang K, Kim J, Engheta N, Jariwala D.   +8 more
europepmc   +1 more source

Anisotropy Factor Spectra for Weakly Allowed Electronic Transitions in Chiral Ketones

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Anisotropy factor spectra for the weak n→π*‐type A‐band of chiral ketones cannot be described within the Franck–Condon approximation. Thus, we present such spectra computed by accounting for Herzberg–Teller corrections and compare them to experiments for fenchone, camphor and 3MCP to describe chiroptical properties of these molecules in the mid to near
Leon A. Kerber, Oliver Kreuz, Tom Ring, Hendrike Braun, Robert Berger, Daniel M. Reich   +5 more
wiley   +1 more source

Statistical control of relaxation and synchronization in open anyonic systems. [PDF]

Sci Rep
Bittner ER, Tyagi B.
europepmc   +1 more source

Ultrafast Transitions in X‐Ray Irradiated Solids

Contributions to Plasma Physics, EarlyView.
ABSTRACT In this review, we present current developments on modeling ultrafast transitions in solids triggered by intense, atto‐ to femtosecond pulses from X‐ray free electron lasers. This specific irradiation regime requires dedicated simulation tools based on theoretical and computational methods, involving the elements of classical and quantum ...
Sebastião Antunes, Konrad J. Kapcia, Vladimir Lipp, Beata Ziaja   +3 more
wiley   +1 more source

Fieldoscopy at the quantum limit. [PDF]

Light Sci Appl
Zimin DA, Ashoka A, Reiter F, Rao A.
europepmc   +1 more source

Selective Optical Properties of Cement for Enhanced Radiative Cooling and Energy‐Efficient Construction Materials

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Cement phases are good materials for radiative cooling thanks to the selective emissivity in IR ATW. Cement powders have high reflectance of solar radiation which reduces the thermal losses. The onset of the absorption curves is defined by bound excitons. Sulfates have higher radiated powers and reflectance than calcium silicates.
Jozef Janovec, Guido Goracci, Jorge S. Dolado, Andrés Ayuela   +3 more
wiley   +1 more source

Harnessing Dynamics of Van Der Pol Oscillators for Phase Computing with Oscillatory Neural Networks

Sabo F, Du F, Dinç N, Todri-Sanial A.
europepmc   +1 more source

Lossless and Lossy Characterization of the State of Perturbed Anharmonic Diatomics: An Information-Theoretic Compaction of Quantum Dynamics. [PDF]

J Chem Theory Comput
Hamilton JR, Levine RD.
europepmc   +1 more source

Unraveling Synergistic Regulation Mechanism in Nitrogen/Sulfur Co‐Doped Biomass‐Derived Hard Carbon Toward Durable Sodium‐Ion Battery Anodes

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Nitrogen/sulfur co‐doping optimizes the electron and spatial structure of biomass‐derived hard carbon, and the anode demonstrates superior long‐term cycling stability over 2000 cycles, validating an improved “adsorption‐intercalation‐pore filling” mechanism.
Qian Long, Fangyuan Zhang, Jiayu Qu, Songtao Li, Renfei Cheng, Yaning Zhao, Di Guo, Zhengwang Zhu, Haifeng Zhang   +8 more
wiley   +1 more source